N-(3-methylpenta-2,4-dien-2-yl)methanimine

C7H11N — CID 123604682

IUPACN-(3-methylpenta-2,4-dien-2-yl)methanimine
SMILESC=CC(C)=C(C)N=C
InChIInChI=1S/C7H11N/c1-5-6(2)7(3)8-4/h5H,1,4H2,2-3H3
InChIKeyOYPRDUNBEQETJI-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds2

About N-(3-methylpenta-2,4-dien-2-yl)methanimine

N-(3-methylpenta-2,4-dien-2-yl)methanimine (PubChem CID 123604682) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-(3-methylpenta-2,4-dien-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-methylpenta-2,4-dien-2-yl)methanimine
PubChem CID123604682
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-(3-methylpenta-2,4-dien-2-yl)methanimine
SMILESC=CC(C)=C(C)N=C
InChIInChI=1S/C7H11N/c1-5-6(2)7(3)8-4/h5H,1,4H2,2-3H3
InChIKeyOYPRDUNBEQETJI-UHFFFAOYSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 142975743
ethane;N-[(2Z)-1,1,1-trifluoro-3-methylpenta-2,4-dien-2-yl]methanimine
CID 168920648
N-[(2Z)-1,1,1-trifluoro-3-methylpenta-2,4-dien-2-yl]methanimine
CID 168920649
N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine
CID 87525876
N-[(5Z)-4-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-yl]methanimine
CID 89502555
N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine
CID 123154101
N-(4-methylpenta-2,4-dien-2-yl)methanimine
CID 123428702
(Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile
CID 126746073
N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine
CID 130268731
N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine
CID 130348653
N-[(3E,5Z)-4-methylhepta-1,3,5-trien-3-yl]methanimine
CID 130441084
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpenta-2,4-dien-2-yl)methanimine?
The IUPAC name of N-(3-methylpenta-2,4-dien-2-yl)methanimine (CID 123604682) is N-(3-methylpenta-2,4-dien-2-yl)methanimine.
What is the SMILES notation for N-(3-methylpenta-2,4-dien-2-yl)methanimine?
The canonical SMILES for N-(3-methylpenta-2,4-dien-2-yl)methanimine is C=CC(C)=C(C)N=C.
What is the InChIKey of N-(3-methylpenta-2,4-dien-2-yl)methanimine?
The InChIKey is OYPRDUNBEQETJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-5-6(2)7(3)8-4/h5H,1,4H2,2-3H3.
What are the key properties of N-(3-methylpenta-2,4-dien-2-yl)methanimine?
N-(3-methylpenta-2,4-dien-2-yl)methanimine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpenta-2,4-dien-2-yl)methanimine is sourced from PubChem (CID 123604682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).